N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H19F7N4O2 — CID 177272882

IUPACN-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCC(F)(F)F)C2
InChIInChI=1S/C20H19F7N4O2/c21-17-13-7-11(20(25,26)27)1-2-16(13)33-10-15(17)28-18(32)14-8-12-9-30(4-3-19(22,23)24)5-6-31(12)29-14/h1-2,7-8,15,17H,3-6,9-10H2,(H,28,32)/t15-,17?/m0/s1
InChIKeyBVWNFVGCUGUDAO-MYJWUSKBSA-N
MW480.38 g/mol
LogP3.87
Rot. Bonds4

About N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 177272882) has the molecular formula C20H19F7N4O2 and a molecular weight of 480.38 g/mol. Its IUPAC name is N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID177272882
Molecular FormulaC20H19F7N4O2
Molecular Weight480.38 g/mol
Exact Mass480.14
IUPAC NameN-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCC(F)(F)F)C2
InChIInChI=1S/C20H19F7N4O2/c21-17-13-7-11(20(25,26)27)1-2-16(13)33-10-15(17)28-18(32)14-8-12-9-30(4-3-19(22,23)24)5-6-31(12)29-14/h1-2,7-8,15,17H,3-6,9-10H2,(H,28,32)/t15-,17?/m0/s1
InChIKeyBVWNFVGCUGUDAO-MYJWUSKBSA-N
XLogP3.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414333
N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414008
5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414323
5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414256
6-ethyl-6-hydroxy-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxamide
CID 177272907
N-(4,6-dimethyl-3,4-dihydro-2H-chromen-3-yl)-6-(ethoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine-2-carboxamide
CID 167413995
N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56719048
5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56712060
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-5-(trifluoromethyl)triazolo[1,5-a]pyridine-3-carboxamide
CID 140764657
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18180318
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 146450882
5-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 95146921

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 177272882) is N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(CCC(F)(F)F)C2.
What is the InChIKey of N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is BVWNFVGCUGUDAO-MYJWUSKBSA-N. The full InChI is InChI=1S/C20H19F7N4O2/c21-17-13-7-11(20(25,26)27)1-2-16(13)33-10-15(17)28-18(32)14-8-12-9-30(4-3-19(22,23)24)5-6-31(12)29-14/h1-2,7-8,15,17H,3-6,9-10H2,(H,28,32)/t15-,17?/m0/s1.
What are the key properties of N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 480.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 177272882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).